ethyl 4-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCSC1=NN=C(N1CC=C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-3-11-20-16(13-7-9-14(10-8-13)21(23)24)18-19-17(20)26-12-5-6-15(22)25-4-2/h3,7-10H,1,4-6,11-12H2,2H3